› 4yc8

X-ray diffraction
2.9Å resolution

C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase

Released:
DOI: 10.2210/pdb4yc8/pdb
PDB entry 4yc8 coloured by chain, front view.
PDB entry 4yc8 coloured by chain, side view.
PDB entry 4yc8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Kwarcinski FE, Brandvold KR, Phadke S, Beleh OM, Johnson TK, Meagher JL, Seeliger MA, Stuckey JA, Soellner MB
ACS Chem Biol 11 1296-304 (2016)
PMID: 26895387

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 33.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00519 (Residues: 229-512; Coverage: 25%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 4B7 2 x 4B7
Ligand EDO 2 x EDO
Ligand MES 2 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21212
Unit cell:
a: 112.76Å b: 127.1Å c: 57.17Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.24
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Photoaffinity labelling strategies for mapping the small molecule-protein interactome.
Burton et al. (2021)
6 more

4 mentions without citation

Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Kwarcinski et al. (2016)
3 more